#pragma once
#ifndef MD_H_
#define MD_H_
#include "dynamics.h"

// classical molecular dynamics
class Md : public Dynamics
{
public:

    void Initialize(MolSys& mol, Force& f);
    void Evolve(MolSys& mol, Force& f);


    void VelocStep(MolSys& mol, const double &dt);
    void CoordStep(MolSys& mol, const double &dt);
    void ThermStep(MolSys& mol, const double &dt);
    void NvtStep(MolSys& mol, Force& f, const double &dt);
    void NveStep(MolSys& mol, Force& f, const double &dt);
  //  void NptStep(const double &dt);

private:

};
#endif
